1,3-Bis(isocyanatomethyl)cyclohexane
TL;DR: 1,3-Bis(isocyanatomethyl)cyclohexane (CAS 38661-72-2) is a chemical compound with molecular formula C10H14N2O2 and molecular weight 194.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-bis(isocyanatomethyl)cyclohexane
Also Known As: 1,3-Bis(isocyanatomethyl)cyclohexane, Takenate 600, 1,3-Bis(methylisocyanate)cyclohexane, 1,3-bis(NCOMe)cyclohexane, 13-bis(isocyanatomethyl)cyclohexane
| Molecular Formula | C10H14N2O2 |
|---|---|
| Molecular Weight | 194.11 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 58.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 194.10553 |
| Heavy Atoms | 14 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 38661-72-2 |
|---|---|
| SMILES | C1CC(CC(C1)CN=C=O)CN=C=O |
| InChIKey | XSCLFFBWRKTMTE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Bis(isocyanatomethyl)cyclohexane (CAS 38661-72-2), with molecular formula C10H14N2O2 and molecular weight 194.11 g/mol. IUPAC: 1,3-bis(isocyanatomethyl)cyclohexane.
Chemical Property Profile of 1,3-Bis(isocyanatomethyl)cyclohexane
Property Insights of 1,3-Bis(isocyanatomethyl)cyclohexane
The XLogP value of 3.7 indicates that 1,3-Bis(isocyanatomethyl)cyclohexane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.9 Ų, 1,3-Bis(isocyanatomethyl)cyclohexane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Bis(isocyanatomethyl)cyclohexane has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3-Bis(isocyanatomethyl)cyclohexane?
The CAS number of 1,3-Bis(isocyanatomethyl)cyclohexane is 38661-72-2.
What is the molecular formula of 1,3-Bis(isocyanatomethyl)cyclohexane?
The molecular formula of 1,3-Bis(isocyanatomethyl)cyclohexane is C10H14N2O2.
What is the molecular weight of 1,3-Bis(isocyanatomethyl)cyclohexane?
The molecular weight of 1,3-Bis(isocyanatomethyl)cyclohexane is 194.11 g/mol.
Where can I buy 1,3-Bis(isocyanatomethyl)cyclohexane?
You can request a quote for 1,3-Bis(isocyanatomethyl)cyclohexane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Bis(isocyanatomethyl)cyclohexane?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Bis(isocyanatomethyl)cyclohexane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.